NCID-ZINC04921640
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3780    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090   -0.6790   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970    0.0290   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780    1.4110   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    2.0860    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460    3.8470    0.0120 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3850    4.2690   -0.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140    4.2340   -0.5190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    4.3290    1.5960 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420    5.4240    1.8510 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1290    6.5180    2.1060 N   0  5  0  0  0  0  0  0  0  0  0  0
    1.2360   -2.5700   -0.0230 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    1.9050    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -0.5570    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400   -0.4970   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3050    1.9650   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  2  0  0  0  0
M  CHG  1  11   1
M  CHG  1  12  -1
M  END